chempirical

1-(1H-Pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one

C9H8N2OCAS 83393-46-8160.18 g/mol

Open in Covalent MOL file
OHNN
Ketone

Properties

Molecular formula
C9H8N2O
Molar mass
160.18 g/mol
Exact mass
160.0637 Da
logP
1.77Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
83393-46-8
SMILES
CC(=O)C1=CNC2=C1C=CC=N2
InChIKey
OGMZQWPOZWMDQS-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11)

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Names and synonyms

1 names
  • Ethanone, 1-(1H-pyrrolo[2,3-B]pyridin-3-yl)- (9ci)

Work with 1-(1H-Pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-363 % similar Methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate808137-94-263 % similar 3-Acetylindole703-80-057 % similar 3-Methyl-1H-pyrrolo[2,3-b]pyridine5654-93-351 % similar 3-Acetyl-2-chloropyridine55676-21-649 % similar 1-(2-Aminopyridin-3-yl)ethan-1-one65326-33-249 % similar 7-Azaindole-3-carboxaldehyde4649-09-648 % similar 3-Iodo-7-azaindole23616-57-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(1H-Imidazol-1-yl)phenol10041-02-8 4-(Oxazol-5-yl)aniline1008-95-3 5-Methyl-3-phenyl-1,2,4-oxadiazole1198-98-7 1-Methyl-2-formylbenzimidazole3012-80-4 N-(4-Cyanophenyl)acetamide35704-19-9 1-Methyl-1H-indazole-3-carboxaldehyde4002-83-9 2-Amino-4-hydroxyquinoline42712-64-1 5-Amino-3-phenylisoxazole4369-55-5

Elsewhere

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